PubChemLite - (2s)-2-(3,5-dimethoxyphenyl)-5-methoxy-7,7-dimethyl-10-(3-methylbut-2-en-1-yl)-2,3-dihydropyrano[2,3-g]chromen-4(7h)-one (C28H32O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2C=CC(OC2=C(C3=C1O[C@@H](CC3=O)C4=CC(=CC(=C4)OC)OC)OC)(C)C)C

InChI

InChI=1S/C28H32O6/c1-16(2)8-9-20-21-10-11-28(3,4)34-26(21)27(32-7)24-22(29)15-23(33-25(20)24)17-12-18(30-5)14-19(13-17)31-6/h8,10-14,23H,9,15H2,1-7H3/t23-/m0/s1

InChIKey

CLDGQFJTMBUPMX-QHCPKHFHSA-N

Compound name

(7S)-7-(3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-7,8-dihydropyrano[2,3-g]chromen-9-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	465.22716	215.3
[M+Na]+	487.20910	223.2
[M-H]-	463.21260	224.8
[M+NH4]+	482.25370	225.4
[M+K]+	503.18304	222.1
[M+H-H2O]+	447.21714	205.3
[M+HCOO]-	509.21808	227.9
[M+CH3COO]-	523.23373	241.7
[M+Na-2H]-	485.19455	215.1
[M]+	464.21933	223.2
[M]-	464.22043	223.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.22716

215.3

[M+Na]+

487.20910

223.2

[M-H]-

463.21260

224.8

[M+NH4]+

482.25370

225.4

[M+K]+

503.18304

222.1

[M+H-H2O]+

447.21714

205.3

[M+HCOO]-

509.21808

227.9

[M+CH3COO]-

523.23373

241.7

[M+Na-2H]-

485.19455

215.1

[M]+

464.21933

223.2

[M]-

464.22043

223.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(2s)-2-(3,5-dimethoxyphenyl)-5-methoxy-7,7-dimethyl-10-(3-methylbut-2-en-1-yl)-2,3-dihydropyrano[2,3-g]chromen-4(7h)-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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